./iterations/neb0_image06_iter126.sci output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)

Status: finished

#MD System 2.0

@Title neb0_image06

@Columns AsymmetricAtom
	AtomicNumber	int	0
	Connections	string	{{}}
	Fractional	double	{{0.0 0.0 0.0}}
	Name	string	{{}}
	Site	int	1
	WyckoffPosition	int	-1
@end
@data
8 {} {0.470180093475 0.227784299532 0.489077593874} O1 1 1
14 {} {0.329356464467 0.224376522124 0.57369804819} Si1 2 1
14 {} {0.601075464497 0.318851673682 0.44927436812} Si2 3 1
8 {} {0.560967522703 0.474710104107 0.420087991031} O2 4 1
8 {} {0.321262579069 0.354559466318 0.674818122592} O3 5 1
14 {} {0.291880738861 0.515233376014 0.666900694844} Si3 6 1
14 {} {0.493151882812 0.619416016938 0.445371650343} Si4 7 1
1 {} {0.329733020616 0.101919749644 0.657556907672} H1 8 1
1 {} {0.21397951532 0.22476684973 0.478310946178} H2 9 1
1 {} {0.655562722784 0.262936433365 0.323134270096} H3 10 1
1 {} {0.70008118199 0.320582840436 0.560745971284} H4 11 1
1 {} {0.144372362649 0.536355701964 0.67768709585} H5 12 1
1 {} {0.362717759292 0.579485564111 0.781049280587} H6 13 1
1 {} {0.382357455849 0.802727181679 0.469646958826} H7 14 1
1 {} {0.484931066148 0.679326194967 0.307673572466} H8 15 1
1 {} {0.590838336561 0.698624437918 0.529779160692} H10 16 1
8 {} {0.348691606948 0.574584759504 0.522949872605} O 17 1
1 {} {0.328946312753 0.756276741238 0.503295479376} H14 18 1
@end
@Columns Cell
	Constraints	string	{a b c A B G}
	Origin	int	{{0 0 0}}
	Parameters	double	{{10.0 10.0 10.0 90.0 90.0 90.0}}
	PrimitiveData	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	RotationMatrix	double	{{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}}
	SpaceGroup	string	P1
	SpaceGroupNumber	int	1
	ToCartesians	double	{{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}}
	ToFractionals	double	{{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}}
@end
@data
{a b c A B G} {0 0 0} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}}
@end
@Columns AsymmetricBond
	Atom1	reference	AsymmetricAtom
	Atom2	reference	AsymmetricAtom
	Key	int	0
	Order	int	0
@end
@data
1 0 0 0
2 0 0 0
14 6 0 0
16 5 0 2
15 6 0 0
4 1 0 0
3 2 0 0
7 1 0 0
8 1 0 0
6 3 0 0
5 4 0 0
10 2 0 0
9 2 0 0
@end
@Columns Bond
	AsymmetricBond	reference	AsymmetricBond
	Atom1	reference	Atom
	Atom2	reference	Atom
	CellOffset2	int	{{0 0 0}}
	Key	int	0
@end
@data
0 0 1 {0 0 0} 0
1 0 2 {0 0 0} 0
2 14 6 {0 0 0} 0
3 16 5 {0 0 0} 0
4 15 6 {0 0 0} 0
5 4 1 {0 0 0} 0
6 3 2 {0 0 0} 0
7 7 1 {0 0 0} 0
8 8 1 {0 0 0} 0
9 6 3 {0 0 0} 0
10 5 4 {0 0 0} 0
11 10 2 {0 0 0} 0
12 9 2 {0 0 0} 0
@end
@Columns Subset
	Color	string	{{#65d9f0}}
	Criteria	string	{{}}
	DisplayLine	int	0
	IeqJ	int	1
	IgtJ	int	0
	IltJ	int	0
	Length	int	1
	Name	string	{{}}
	Table	string	{{}}
	Type	string	atom
	UseColor	int	0
@end
@data
@end